5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide

C11H18N4O2 — CID 114406169

IUPAC5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
SMILESCOCCCCNc1nc(C(N)=O)ccc1N
InChIInChI=1S/C11H18N4O2/c1-17-7-3-2-6-14-11-8(12)4-5-9(15-11)10(13)16/h4-5H,2-3,6-7,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyCWEUQRJPFORNQV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.60
Rot. Bonds7

About 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide

5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide (PubChem CID 114406169) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
PubChem CID114406169
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
SMILESCOCCCCNc1nc(C(N)=O)ccc1N
InChIInChI=1S/C11H18N4O2/c1-17-7-3-2-6-14-11-8(12)4-5-9(15-11)10(13)16/h4-5H,2-3,6-7,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyCWEUQRJPFORNQV-UHFFFAOYSA-N
XLogP0.60
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(5-methoxypentylamino)pyridine-2-carboxamide
CID 114131934
5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide
CID 114407848
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-2-carboxamide
CID 114406795
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
3,6-bis(3-methoxypropylamino)pyrazine-2,5-dicarboxamide
CID 58462499
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
CID 114097569
5-amino-6-(2-methoxyethoxy)pyridine-2-carboxamide
CID 114408602
6-amino-N-(5-methoxypentyl)pyridazine-3-carboxamide
CID 114131484
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide (CID 114406169) is 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide is COCCCCNc1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide?
The InChIKey is CWEUQRJPFORNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-7-3-2-6-14-11-8(12)4-5-9(15-11)10(13)16/h4-5H,2-3,6-7,12H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide?
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114406169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).